Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50474894'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor beta (Homo sapiens (Human))	BDBM50474894 (CHEMBL185412) Show SMILES OC(CCN1CCCCC1)c1ccc(cc1)C1c2c(Cc3ccc(O)cc13)sc1cc(O)ccc21 Show InChI InChI=1S/C30H31NO3S/c32-22-9-8-21-16-28-30(24-11-10-23(33)18-27(24)35-28)29(25(21)17-22)20-6-4-19(5-7-20)26(34)12-15-31-13-2-1-3-14-31/h4-11,17-18,26,29,32-34H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Antagonist effect against 10 pM 17-beta-estradiol induced MCF-7 cell proliferation				Bioorg Med Chem Lett 14: 5103-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.072 BindingDB Entry DOI: 10.7270/Q25X2CQ6
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50474894 (CHEMBL185412) Show SMILES OC(CCN1CCCCC1)c1ccc(cc1)C1c2c(Cc3ccc(O)cc13)sc1cc(O)ccc21 Show InChI InChI=1S/C30H31NO3S/c32-22-9-8-21-16-28-30(24-11-10-23(33)18-27(24)35-28)29(25(21)17-22)20-6-4-19(5-7-20)26(34)12-15-31-13-2-1-3-14-31/h4-11,17-18,26,29,32-34H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Antagonist activity as inhibition of 1 nM 17-beta-estradiol stimulated alkaline phosphatase induction in Ishikawa endometrial cells				Bioorg Med Chem Lett 14: 5103-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.072 BindingDB Entry DOI: 10.7270/Q25X2CQ6
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50474894 (CHEMBL185412) Show SMILES OC(CCN1CCCCC1)c1ccc(cc1)C1c2c(Cc3ccc(O)cc13)sc1cc(O)ccc21 Show InChI InChI=1S/C30H31NO3S/c32-22-9-8-21-16-28-30(24-11-10-23(33)18-27(24)35-28)29(25(21)17-22)20-6-4-19(5-7-20)26(34)12-15-31-13-2-1-3-14-31/h4-11,17-18,26,29,32-34H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Agonist activity as alkaline phosphatase induction in Ishikawa endometrial cells compared to E2				Bioorg Med Chem Lett 14: 5103-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.072 BindingDB Entry DOI: 10.7270/Q25X2CQ6
					More data for this Ligand-Target Pair